8009-5180 Screening compound: 5-ethyl-2-(4-methylphenyl)-5-phenyl-1,2,4-triazolidine-3-thione

8009-5180 Screening compound: 5-ethyl-2-(4-methylphenyl)-5-phenyl-1,2,4-triazolidine-3-thione
8009-5180 Screening compound: 5-ethyl-2-(4-methylphenyl)-5-phenyl-1,2,4-triazolidine-3-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-5180
5-ethyl-2-(4-methylphenyl)-5-phenyl-1,2,4-triazolidine-3-thione

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

8009-5180

Molecular Formula

C17H19N3S (C17 H19 N3 S)

Compound Name

5-ethyl-2-(4-methylphenyl)-5-phenyl-1,2,4-triazolidine-3-thione

IUPAC name

5-ethyl-2-(4-methylphenyl)-5-phenyl-124-triazolidine-3-thione

SMILES

CCC(c1ccccc1)(NC1=S)NN1c1ccc(C)cc1

InChI

InChI=1S/C17H19N3S/c1-3-17(14-7-5-4-6-8-14)18-16(21)20(19-17)15-11-9-13(2)10-12-15/h4-12,19H,3H2,1-2H3,(H,18,21)/t17-/m0/s1

InChI Key

VZVWTEWVLPWRKA-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD01806250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.447

Distribution Coefficient, logD

4.445

Water Solubility, LogSw

-4.21

Polar Surface Area

28.322

Acid Dissociation Constant (pKa)

15.10

Base Dissociation Constant (pKb)

5.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

8009-5180 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8009-5180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-5180?
Check Price and Availability of 8009-5180, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8009-5180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-5180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-5180
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 8009-5180 available by request